SCHEMBL9264131

SCHEMBL9264131

CCOC(=O)Cc1c(-c2ccc(C)cc2)nc2[nH]c3ccccc3n12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ HSD17B10 Q99714 3/20 0.46
▸ SLC2A2 P11168 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ ADORA1 P30542 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9416616 0.86 POLB (0.44) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL9264212 0.83 ADORA3 (0.41) KMT2AMEN1POLBHSD17B10ALDH1A1
SCHEMBL9261073 0.81 KMT2A (0.45) KMT2AMEN1POLBHSD17B10ALDH1A1
SCHEMBL9261860 0.80 POLB (0.48) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL9262552 0.77 NR4A2 (0.45) KMT2AMEN1POLBHSD17B10KDM4E
SCHEMBL9416648 0.73 ADORA3 (0.44) KMT2AMEN1POLBHSD17B10ALDH1A1
SCHEMBL27500927 0.70 GABRA1 (0.72) HSD17B10SLC2A2KDM4EADORA3GABRA1
SCHEMBL12850767 0.69 MAPT (0.43) KMT2AMEN1POLBMAPTKDM4E
SCHEMBL20893121 0.68 ADORA2A (0.47) KMT2AMEN1POLBHSD17B10ALDH1A1
SCHEMBL27589977 0.68 SLC2A2 (0.50) KMT2AMEN1POLBHSD17B10SLC2A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5466706-A Compounds for hypnotics, anxiety or anticonvulsants SYNTHELABO (FR) 1995-11-14 — — US disclosed
Send feedback